Information card for entry 2214826

Structure parameters

• Chemical name: 1-(Benzylideneacetyl)-2-phenyl-1,2,3,5,10,10a-hexahydro- 1<i>H</i>-pyrrolo[1,2-<i>b</i>]isoquinoline-3-spiro-3'(2'<i>H</i>)-1<i>H</i>- indol-3'-one
• Formula: C34 H28 N2 O2
• Calculated formula: C34 H28 N2 O2
• SMILES: N12[C@@]3([C@H]([C@@H]([C@H]1Cc1ccccc1C2)c1ccccc1)C(=O)/C=C/c1ccccc1)C(=O)Nc1ccccc31.N12[C@]3([C@@H]([C@H]([C@@H]1Cc1ccccc1C2)c1ccccc1)C(=O)/C=C/c1ccccc1)C(=O)Nc1ccccc31.N12[C@]3([C@@H]([C@H]([C@@H]1Cc1ccccc1C2)c1ccccc1)C(=O)/C=C/c1ccccc1)C(=O)Nc1ccccc31.N12[C@@]3([C@H]([C@@H]([C@H]1Cc1ccccc1C2)c1ccccc1)C(=O)/C=C/c1ccccc1)C(=O)Nc1ccccc31
• Title of publication: 1-(Benzylideneacetyl)-2-phenyl-1,2,3,5,10,10a-hexahydro-1<i>H</i>-pyrrolo[1,2-<i>b</i>]isoquinoline-3-spiro-3'(2'<i>H</i>)-1<i>H</i>-indol-3'-one
• Authors of publication: D. Gayathri; R. M. Sethukkarasi; D. Velmurugan; K. Ravikumar; G. Periyasami
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3490 - o3490
• a: 19.301 ± 0.004 Å
• b: 14.725 ± 0.003 Å
• c: 18.583 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5281.4 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No